ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C25H28N6O2S — CID 26222529

About ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26222529) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• PubChem CID: 26222529
• Molecular Formula: C25H28N6O2S
• Molecular Weight: 476.61 g/mol
• Exact Mass: 476.20
• IUPAC Name: ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(CCc2scnc2C)c2c1CN(Cc1cnn(-c3ccccc3)c1)CC2
• InChI: InChI=1S/C25H28N6O2S/c1-3-33-25(32)24-21-16-29(14-19-13-27-31(15-19)20-7-5-4-6-8-20)11-9-22(21)30(28-24)12-10-23-18(2)26-17-34-23/h4-8,13,15,17H,3,9-12,14,16H2,1-2H3
• InChIKey: LPQQAJCGELOMDT-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 78.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.61
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The IUPAC name of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26222529) is ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCc2scnc2C)c2c1CN(Cc1cnn(-c3ccccc3)c1)CC2.

What is the InChIKey of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The InChIKey is LPQQAJCGELOMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-3-33-25(32)24-21-16-29(14-19-13-27-31(15-19)20-7-5-4-6-8-20)11-9-22(21)30(28-24)12-10-23-18(2)26-17-34-23/h4-8,13,15,17H,3,9-12,14,16H2,1-2H3.

What are the key properties of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 476.61 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26222529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).